
 CHEMBL431362

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL431362

>  <PubChem CID>
10792897

>  <Formula>
C32H36N4O5

>  <Molecular Weight>
556.663000

>  <IUPAC Name>
N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC(CN4CCN(CC4)C5=CC=CC=C5OC(C)C)O

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC[C@@H](CN4CCN(CC4)C5=CC=CC=C5OC(C)C)O

>  <InChI Std. ID>
InChI=1S/C32H36N4O5/c1-21(2)41-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-25(37)19-33-30(38)23-10-13-26-27(18-23)32(40)36(31(26)39)24-11-8-22(3)9-12-24/h4-13,18,21,25,37H,14-17,19-20H2,1-3H3,(H,33,38)/t25-/m0/s1

>  <InChI Key>
IQRXOCGLSGCNLE-VWLOTQADSA-N

